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Chemical ID: 6358490
Chemical ID:
6358490
Name [?]:
N,N-diisobutyl-2-methoxy-benzamide
SMILES [?]:
CC(C)CN(CC(C)C)C(=O)c1ccccc1OC
InChi [?]:
InChI=1/C16H25NO2/c1-12(2)10-17(11-13(3)4)16(18)14-8-6-7-9-15(14)19-5/h6-9,12-13H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,19,14,15,13,16,4,6,2,7,12,17,10,5,11,18/E:(1,2,3,4)(10,11)(12,13)/rA:19nCCCCNCCCCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97685 |
Area: | 453.581 |
Solvation: | -3.36266 |
Coulombic: | -25.9888 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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